SCHEMBL25565965

SCHEMBL25565965

CN(CC1CCNCC1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
NOS2 P35228 3/20 0.36
SLC6A2 P23975 8/20 0.34
SLC6A4 P31645 8/20 0.34
GBA1 P04062 1/20 0.32
SLC6A3 Q01959 3/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ADRA1B P35368 1/20 0.31
EP300 Q09472 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3473819 0.95 SLC6A2 (0.37) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL5645558 0.95 NOS3 (0.33) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL27391655 0.93 NOS3 (0.35) NOS3NOS1NOS2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3474532 0.93 SLC6A2 (0.36) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL5651239 0.90 ADRA1B (0.39) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL27564858 0.90 ADRA1B (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL24351757 0.88 NOS3 (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL24350727 0.88 NOS3 (0.42) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL24480738 0.86 NOS3 (0.33) NOS3NOS1NOS2SLC6A2SLC6A4
SCHEMBL24319629 0.84 ADRA1B (0.31) ADRA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083194-A1 WEE1 PROTEIN KINASE DEGRADATION AGENT AND USE THEREOF 杭州格博生物医药有限公司 2023-05-19 WO disclosed